CID 85524453

101227-27-4

Structural Information

Molecular Formula
C22H15ClOS2
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2C3=CC=CC=C3)SCl)OC4=CC=CS4
InChI
InChI=1S/C22H15ClOS2/c23-26-19-14-13-18(24-20-12-7-15-25-20)21(16-8-3-1-4-9-16)22(19)17-10-5-2-6-11-17/h1-15H
InChIKey
GJBOGWASFFGGCB-UHFFFAOYSA-N
Compound name
(2,3-diphenyl-4-thiophen-2-yloxyphenyl) thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0253 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03258 190.1
[M+Na]+ 417.01452 200.9
[M-H]- 393.01802 203.3
[M+NH4]+ 412.05912 205.0
[M+K]+ 432.98846 191.9
[M+H-H2O]+ 377.02256 183.1
[M+HCOO]- 439.02350 201.3
[M+CH3COO]- 453.03915 201.4
[M+Na-2H]- 414.99997 189.1
[M]+ 394.02475 195.9
[M]- 394.02585 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.